| SpectraBase Compound ID | Fw4FJ4xhgFb |
|---|---|
| InChI | InChI=1S/C17H12Cl2N2O/c18-15-7-6-13(16(19)8-15)9-21-10-14(11-22)17(20-21)12-4-2-1-3-5-12/h1-8,10-11H,9H2 |
| InChIKey | IOKIEACRRQJQKX-UHFFFAOYSA-N |
| Mol Weight | 331.2 g/mol |
| Molecular Formula | C17H12Cl2N2O |
| Exact Mass | 330.032668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wgB14VnxnX |
|---|---|
| Name | 1-(2,4-Dichloro-benzyl)-3-phenyl-1H-pyrazole-4-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.032668413 u |
| Formula | C17H12Cl2N2O |
| InChI | InChI=1S/C17H12Cl2N2O/c18-15-7-6-13(16(19)8-15)9-21-10-14(11-22)17(20-21)12-4-2-1-3-5-12/h1-8,10-11H,9H2 |
| InChIKey | IOKIEACRRQJQKX-UHFFFAOYSA-N |
| Molecular Weight | 331.202 g/mol |
| SMILES | C1=CC=C(C=C1)C=1C(C=O)=CN(N1)CC1=CC=C(Cl)C=C1Cl |